Glycoside
GD155235
Name:
2-[(4,5-dihydroxy-2-{[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H72O13Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 797.04 | Num_heavy_atoms: | 56 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD16277
Formula: C31H52O4
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
